LaCe3Ir
Alexandria ALEXAlex-ID: agm005779368 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_5494_spg11
Ce7Ir3 La7Ir3 Ce
2023-07-04 13:29:34.614439
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005779368).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}
3D Crystal Structure Rendering
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# CIF generated by HEAS from Alexandria entry agm005779368
data_agm005779368
_cell_length_a 6.63107
_cell_length_b 6.67209
_cell_length_c 6.12494
_cell_angle_alpha 89.99979
_cell_angle_beta 87.21825
_cell_angle_gamma 90.00014
_cell_volume 270.66662
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
La1 La 0.11948 0.75000 0.62643 1.00000
La2 La 0.88052 0.25000 0.37357 1.00000
Ce1 Ce 0.70301 0.50447 0.92674 1.00000
Ce2 Ce 0.29699 0.49553 0.07326 1.00000
Ce3 Ce 0.70301 0.99553 0.92674 1.00000
Ce4 Ce 0.29699 0.00447 0.07326 1.00000
Ce5 Ce 0.59627 0.75000 0.43793 1.00000
Ce6 Ce 0.40373 0.25000 0.56207 1.00000
Ir1 Ir 0.95401 0.75000 0.19552 1.00000
Ir2 Ir 0.04599 0.25000 0.80448 1.00000
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